2-[3,5-bis(chloranyl)phenyl]-1-cyclohexyl-4-(2-fluorophenyl)-6-[[3-(propan-2-ylcarbamoyl)phenyl]methoxy]benzimidazole-5-carboxylic acid

Systemtic Name: 2-[3,5-bis(chloranyl)phenyl]-1-cyclohexyl-4-(2-fluorophenyl)-6-[[3-(propan-2-ylcarbamoyl)phenyl]methoxy]benzimidazole-5-carboxylic acid Openeye Name: 1-cyclohexyl-2-(3,5-dichlorophenyl)-4-(2-fluorophenyl)-6-[[3-(isopropylcarbamoyl)phenyl]methoxy]benzimidazole-5-carboxylic acid CAS Name: 1-cyclohexyl-2-(3,5-dichlorophenyl)-4-(2-fluorophenyl)-6-[[3-[oxo-(propan-2-ylamino)methyl]phenyl]methoxy]-5-benzimidazolecarboxylic acid IUPAC Name: 1-cyclohexyl-2-(3,5-dichlorophenyl)-4-(2-fluorophenyl)-6-[[3-(propan-2-ylcarbamoyl)phenyl]methoxy]benzimidazole-5-carboxylic acid Traditional Name: 1-cyclohexyl-2-(3,5-dichlorophenyl)-4-(2-fluorophenyl)-6-[3-(isopropylcarbamoyl)benzyl]oxy-benzimidazole-5-carboxylic acid Formula: C37H34Cl2FN3O4 MolecularWeight: 674.587963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC(=CC=C1)COC2=C(C(=C3C(=C2)N(C(=N3)C4=CC(=CC(=C4)Cl)Cl)C5CCCCC5)C6=CC=CC=C6F)C(=O)O

Isomeric SMILES

CC(C)NC(=O)C1=CC(=CC=C1)COC2=C(C(=C3C(=C2)N(C(=N3)C4=CC(=CC(=C4)Cl)Cl)C5CCCCC5)C6=CC=CC=C6F)C(=O)O

InChI

InChI=1S/C37H34Cl2FN3O4/c1-21(2)41-36(44)23-10-8-9-22(15-23)20-47-31-19-30-34(32(33(31)37(45)46)28-13-6-7-14-29(28)40)42-35(24-16-25(38)18-26(39)17-24)43(30)27-11-4-3-5-12-27/h6-10,13-19,21,27H,3-5,11-12,20H2,1-2H3,(H,41,44)(H,45,46)